Structure of PDB 5mzn Chain A Binding Site BS01

Receptor Information
>5mzn Chain A (length=682) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELAKQELEHMRKRLNVDMNPLYEIILQWDYTRNSEYPDDEPIGNYSDVKD
FFNSPADYQKVMKPLLLLESWQGLCSSRDREDYKPFSIIVGNRTAVSDFY
DVYASVAKQVIQDCGISESDLIVMAYLPDFRPDKRLSSDDFKKAQHTCLA
KVRTLKNTKGGNVDVTLRIHRNHSFSKFLTLRSEIYCVKVMQMTTIEREY
STLEGLEYYDLVGQILQAKPSPPVNVDAAEIETVKKSYKLNTSQAEAIVN
SVSKEGFSLIQGPPGTGKTKTILGIIGYFLSTKNASNTEQLLKKQKILIC
APSNAAVDEICLRLKSGVYDKQGHQFKPQLVRVGRSDVVNVAIKDLTLEE
LVDKRIGERNYNYRNRDLDRRNAQAHILAVSDIICSTLSGSAHDVLATMG
IKFDTVIIDEACQCTELSSIIPLRYGGKRCIMVGDPNQLPPTVLSGAASN
FKYNQSLFVRMEKNSSPYLLDVQYRMHPSISKFPSSEFYQGRLKDGPGMD
ILNKRPWHQLEPLAPYKFFDIISMSYTNMEEIRVAIELVDYLFRKFDNKI
DFTGKIGIISPYREQMQKMRKEFARYFGGMINKSIDFNTIDGFQGQEKEI
ILISCVRAKSSVGFLKDFRRMNVALTRAKTSIWVLGHQRSLAKSKLWRDL
IEDAKDRSCLAYACSGFLDPRNNRAQSILRKF
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5mzn Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5mzn Sen1 has unique structural features grafted on the architecture of the Upf1-like helicase family.
Resolution1.787 Å
Binding residue
(original residue number in PDB)		Q1339 G1362 K1363 T1364 K1365 R1422 Y1655
Binding residue
(residue number reindexed from 1)		Q244 G267 K268 T269 K270 R313 Y474
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0004386 helicase activity

View graph for
Molecular Function
External links
PDB RCSB:5mzn, PDBe:5mzn, PDBj:5mzn
PDBsum5mzn
PubMed28408439
UniProtQ00416|SEN1_YEAST Helicase SEN1 (Gene Name=SEN1)

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